3,6-bis(chloranyl)-4,5-bis[(4-methylphenyl)sulfanyl]phthalic acid

Systemtic Name: 3,6-bis(chloranyl)-4,5-bis[(4-methylphenyl)sulfanyl]phthalic acid Openeye Name: 3,6-dichloro-4,5-bis(p-tolylsulfanyl)phthalic acid CAS Name: 3,6-dichloro-4,5-bis[(4-methylphenyl)thio]phthalic acid IUPAC Name: 3,6-dichloro-4,5-bis[(4-methylphenyl)sulfanyl]phthalic acid Traditional Name: 3,6-dichloro-4,5-bis(p-tolylthio)phthalic acid Formula: C22H16Cl2O4S2 MolecularWeight: 479.39604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)C)Cl)C(=O)O)C(=O)O)Cl

Isomeric SMILES

CC1=CC=C(C=C1)SC2=C(C(=C(C(=C2SC3=CC=C(C=C3)C)Cl)C(=O)O)C(=O)O)Cl

InChI

InChI=1S/C22H16Cl2O4S2/c1-11-3-7-13(8-4-11)29-19-17(23)15(21(25)26)16(22(27)28)18(24)20(19)30-14-9-5-12(2)6-10-14/h3-10H,1-2H3,(H,25,26)(H,27,28)